4,4-bis(fluoranyl)-3-methyl-3-(1,2,4-triazol-1-yl)butanal

Systemtic Name: 4,4-bis(fluoranyl)-3-methyl-3-(1,2,4-triazol-1-yl)butanal Openeye Name: 4,4-difluoro-3-methyl-3-(1,2,4-triazol-1-yl)butanal CAS Name: 4,4-difluoro-3-methyl-3-(1,2,4-triazol-1-yl)butanal IUPAC Name: 4,4-difluoro-3-methyl-3-(1,2,4-triazol-1-yl)butanal Traditional Name: 4,4-difluoro-3-methyl-3-(1,2,4-triazol-1-yl)butyraldehyde Formula: C7H9F2N3O MolecularWeight: 189.162666

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC=O)(C(F)F)N1C=NC=N1

Isomeric SMILES

CC(CC=O)(C(F)F)N1C=NC=N1

InChI

InChI=1S/C7H9F2N3O/c1-7(2-3-13,6(8)9)12-5-10-4-11-12/h3-6H,2H2,1H3